USER MOD reduce.3.24.130724 H: found=0, std=0, add=128, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 129 hydrogens (0 hets) ATOM 27 N ARG A 2 -6.562 0.194 0.584 1.00 0.00 N ATOM 28 CA ARG A 2 -5.231 -0.010 0.021 1.00 0.00 C ATOM 29 C ARG A 2 -4.556 1.324 -0.290 1.00 0.00 C ATOM 30 O ARG A 2 -4.023 1.523 -1.382 1.00 0.00 O ATOM 31 CB ARG A 2 -5.315 -0.862 -1.248 1.00 0.00 C ATOM 32 CG ARG A 2 -6.274 -2.039 -1.132 1.00 0.00 C ATOM 33 CD ARG A 2 -7.321 -2.025 -2.236 1.00 0.00 C ATOM 34 NE ARG A 2 -8.647 -1.673 -1.730 1.00 0.00 N ATOM 35 CZ ARG A 2 -9.118 -0.428 -1.669 1.00 0.00 C ATOM 36 NH1 ARG A 2 -8.377 0.595 -2.079 1.00 0.00 N ATOM 37 NH2 ARG A 2 -10.337 -0.205 -1.196 1.00 0.00 N ATOM 0 HA ARG A 2 -4.629 -0.534 0.763 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.628 -0.230 -2.079 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.321 -1.237 -1.490 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.712 -2.972 -1.176 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.769 -2.011 -0.161 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.026 -1.312 -3.006 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.362 -3.006 -2.709 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.250 -2.428 -1.403 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.439 0.431 -2.444 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.746 1.545 -2.029 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.912 -0.986 -0.880 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -10.699 0.747 -1.148 1.00 0.00 H new ATOM 51 N LEU A 3 -4.563 2.226 0.686 1.00 0.00 N ATOM 52 CA LEU A 3 -3.929 3.535 0.522 1.00 0.00 C ATOM 53 C LEU A 3 -2.453 3.422 0.859 1.00 0.00 C ATOM 54 O LEU A 3 -1.580 3.655 0.023 1.00 0.00 O ATOM 55 CB LEU A 3 -4.598 4.596 1.407 1.00 0.00 C ATOM 56 CG LEU A 3 -5.250 4.079 2.692 1.00 0.00 C ATOM 57 CD1 LEU A 3 -5.193 5.138 3.781 1.00 0.00 C ATOM 58 CD2 LEU A 3 -6.688 3.662 2.426 1.00 0.00 C ATOM 0 H LEU A 3 -4.998 2.078 1.597 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.047 3.851 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.850 5.341 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.359 5.107 0.817 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.696 3.205 3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.661 4.754 4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.153 5.391 3.989 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.724 6.030 3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.138 3.297 3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.254 4.519 2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.705 2.871 1.677 1.00 0.00 H new ATOM 70 N ILE A 4 -2.199 3.015 2.092 1.00 0.00 N ATOM 71 CA ILE A 4 -0.853 2.800 2.589 1.00 0.00 C ATOM 72 C ILE A 4 -0.245 1.575 1.937 1.00 0.00 C ATOM 73 O ILE A 4 0.954 1.339 2.013 1.00 0.00 O ATOM 74 CB ILE A 4 -0.824 2.634 4.121 1.00 0.00 C ATOM 75 CG1 ILE A 4 -1.771 1.515 4.555 1.00 0.00 C ATOM 76 CG2 ILE A 4 -1.193 3.942 4.803 1.00 0.00 C ATOM 77 CD1 ILE A 4 -1.243 0.692 5.710 1.00 0.00 C ATOM 0 H ILE A 4 -2.927 2.824 2.780 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.269 3.684 2.334 1.00 0.00 H new ATOM 0 HB ILE A 4 0.188 2.363 4.422 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.730 1.950 4.837 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.957 0.858 3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.168 3.808 5.884 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.480 4.715 4.516 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.196 4.241 4.498 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.966 -0.083 5.965 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.299 0.228 5.424 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.083 1.337 6.574 1.00 0.00 H new ATOM 89 N ARG A 5 -1.122 0.784 1.353 1.00 0.00 N ATOM 90 CA ARG A 5 -0.771 -0.473 0.721 1.00 0.00 C ATOM 91 C ARG A 5 -0.197 -0.302 -0.643 1.00 0.00 C ATOM 92 O ARG A 5 0.985 -0.551 -0.835 1.00 0.00 O ATOM 93 CB ARG A 5 -2.019 -1.311 0.668 1.00 0.00 C ATOM 94 CG ARG A 5 -2.455 -1.594 2.063 1.00 0.00 C ATOM 95 CD ARG A 5 -1.423 -2.487 2.706 1.00 0.00 C ATOM 96 NE ARG A 5 -1.991 -3.751 3.171 1.00 0.00 N ATOM 97 CZ ARG A 5 -2.071 -4.853 2.426 1.00 0.00 C ATOM 98 NH1 ARG A 5 -1.620 -4.859 1.178 1.00 0.00 N ATOM 99 NH2 ARG A 5 -2.605 -5.955 2.934 1.00 0.00 N ATOM 0 H ARG A 5 -2.118 1.000 1.303 1.00 0.00 H new ATOM 0 HA ARG A 5 0.010 -0.956 1.307 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.805 -0.787 0.124 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.828 -2.242 0.134 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -2.558 -0.666 2.625 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -3.432 -2.078 2.065 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.627 -2.691 1.990 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.969 -1.965 3.548 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.348 -3.792 4.125 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.207 -4.015 0.781 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.686 -5.708 0.616 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -2.953 -5.958 3.893 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -2.668 -6.800 2.366 1.00 0.00 H new ATOM 113 N LEU A 6 -0.991 0.193 -1.579 1.00 0.00 N ATOM 114 CA LEU A 6 -0.482 0.453 -2.914 1.00 0.00 C ATOM 115 C LEU A 6 0.835 1.188 -2.778 1.00 0.00 C ATOM 116 O LEU A 6 1.648 1.243 -3.701 1.00 0.00 O ATOM 117 CB LEU A 6 -1.482 1.263 -3.744 1.00 0.00 C ATOM 118 CG LEU A 6 -2.260 0.459 -4.787 1.00 0.00 C ATOM 119 CD1 LEU A 6 -1.322 -0.070 -5.860 1.00 0.00 C ATOM 120 CD2 LEU A 6 -3.015 -0.683 -4.124 1.00 0.00 C ATOM 0 H LEU A 6 -1.976 0.420 -1.442 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.331 -0.489 -3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.194 1.736 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.945 2.064 -4.252 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.985 1.120 -5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.893 -0.640 -6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.827 0.766 -6.355 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.573 -0.716 -5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.563 -1.245 -4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.308 -1.344 -3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.716 -0.280 -3.393 1.00 0.00 H new ATOM 132 N ILE A 7 1.024 1.742 -1.588 1.00 0.00 N ATOM 133 CA ILE A 7 2.189 2.461 -1.249 1.00 0.00 C ATOM 134 C ILE A 7 3.185 1.536 -0.635 1.00 0.00 C ATOM 135 O ILE A 7 4.337 1.451 -1.050 1.00 0.00 O ATOM 136 CB ILE A 7 1.799 3.597 -0.275 1.00 0.00 C ATOM 137 CG1 ILE A 7 1.405 4.853 -1.053 1.00 0.00 C ATOM 138 CG2 ILE A 7 2.926 3.908 0.703 1.00 0.00 C ATOM 139 CD1 ILE A 7 0.166 4.676 -1.903 1.00 0.00 C ATOM 0 H ILE A 7 0.341 1.688 -0.832 1.00 0.00 H new ATOM 0 HA ILE A 7 2.644 2.899 -2.137 1.00 0.00 H new ATOM 0 HB ILE A 7 0.941 3.257 0.306 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.239 5.669 -0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.236 5.149 -1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.616 4.711 1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.156 3.017 1.288 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.812 4.218 0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.053 5.607 -2.425 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.334 3.882 -2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.678 4.411 -1.266 1.00 0.00 H new ATOM 151 N LEU A 8 2.696 0.822 0.324 1.00 0.00 N ATOM 152 CA LEU A 8 3.464 -0.151 1.029 1.00 0.00 C ATOM 153 C LEU A 8 3.955 -1.235 0.097 1.00 0.00 C ATOM 154 O LEU A 8 4.828 -2.037 0.427 1.00 0.00 O ATOM 155 CB LEU A 8 2.580 -0.689 2.125 1.00 0.00 C ATOM 156 CG LEU A 8 2.937 -2.060 2.712 1.00 0.00 C ATOM 157 CD1 LEU A 8 2.582 -3.177 1.739 1.00 0.00 C ATOM 158 CD2 LEU A 8 4.411 -2.117 3.090 1.00 0.00 C ATOM 0 H LEU A 8 1.731 0.900 0.646 1.00 0.00 H new ATOM 0 HA LEU A 8 4.363 0.289 1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.575 0.035 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.562 -0.742 1.740 1.00 0.00 H new ATOM 0 HG LEU A 8 2.349 -2.204 3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.845 -4.139 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.512 -3.153 1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.135 -3.039 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.643 -3.098 3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.021 -1.944 2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.626 -1.349 3.833 1.00 0.00 H new ATOM 170 N ARG A 9 3.357 -1.239 -1.056 1.00 0.00 N ATOM 171 CA ARG A 9 3.640 -2.182 -2.094 1.00 0.00 C ATOM 172 C ARG A 9 4.952 -1.868 -2.799 1.00 0.00 C ATOM 173 O ARG A 9 5.817 -2.732 -2.948 1.00 0.00 O ATOM 174 CB ARG A 9 2.485 -2.056 -3.036 1.00 0.00 C ATOM 175 CG ARG A 9 1.164 -2.432 -2.391 1.00 0.00 C ATOM 176 CD ARG A 9 1.165 -3.877 -1.919 1.00 0.00 C ATOM 177 NE ARG A 9 1.677 -4.786 -2.941 1.00 0.00 N ATOM 178 CZ ARG A 9 1.015 -5.102 -4.051 1.00 0.00 C ATOM 179 NH1 ARG A 9 -0.186 -4.588 -4.286 1.00 0.00 N ATOM 180 NH2 ARG A 9 1.556 -5.935 -4.930 1.00 0.00 N ATOM 0 H ARG A 9 2.635 -0.564 -1.308 1.00 0.00 H new ATOM 0 HA ARG A 9 3.755 -3.193 -1.703 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.428 -1.030 -3.401 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.657 -2.694 -3.903 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.970 -1.772 -1.545 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.354 -2.282 -3.105 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.773 -3.964 -1.019 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.151 -4.171 -1.648 1.00 0.00 H new ATOM 0 HE ARG A 9 2.596 -5.203 -2.795 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.607 -3.947 -3.614 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.688 -4.834 -5.139 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.479 -6.333 -4.755 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.049 -6.178 -5.781 1.00 0.00 H new ATOM 194 N LEU A 10 5.104 -0.613 -3.193 1.00 0.00 N ATOM 195 CA LEU A 10 6.326 -0.155 -3.842 1.00 0.00 C ATOM 196 C LEU A 10 7.324 0.200 -2.760 1.00 0.00 C ATOM 197 O LEU A 10 8.535 0.246 -2.973 1.00 0.00 O ATOM 198 CB LEU A 10 6.048 1.058 -4.732 1.00 0.00 C ATOM 199 CG LEU A 10 5.079 0.805 -5.887 1.00 0.00 C ATOM 200 CD1 LEU A 10 4.942 2.051 -6.749 1.00 0.00 C ATOM 201 CD2 LEU A 10 5.544 -0.376 -6.725 1.00 0.00 C ATOM 0 H LEU A 10 4.394 0.110 -3.075 1.00 0.00 H new ATOM 0 HA LEU A 10 6.725 -0.943 -4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.648 1.860 -4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.993 1.413 -5.142 1.00 0.00 H new ATOM 0 HG LEU A 10 4.101 0.565 -5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.249 1.853 -7.567 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.563 2.873 -6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.916 2.320 -7.157 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.842 -0.541 -7.542 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.533 -0.166 -7.133 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.591 -1.269 -6.101 1.00 0.00 H new ATOM 213 N LEU A 11 6.763 0.437 -1.587 1.00 0.00 N ATOM 214 CA LEU A 11 7.503 0.781 -0.399 1.00 0.00 C ATOM 215 C LEU A 11 8.095 -0.471 0.223 1.00 0.00 C ATOM 216 O LEU A 11 9.218 -0.467 0.727 1.00 0.00 O ATOM 217 CB LEU A 11 6.523 1.419 0.574 1.00 0.00 C ATOM 218 CG LEU A 11 6.231 2.904 0.359 1.00 0.00 C ATOM 219 CD1 LEU A 11 5.726 3.535 1.646 1.00 0.00 C ATOM 220 CD2 LEU A 11 7.461 3.646 -0.147 1.00 0.00 C ATOM 0 H LEU A 11 5.755 0.393 -1.437 1.00 0.00 H new ATOM 0 HA LEU A 11 8.318 1.464 -0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.581 0.873 0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.909 1.288 1.585 1.00 0.00 H new ATOM 0 HG LEU A 11 5.456 2.984 -0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.522 4.592 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.810 3.035 1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.483 3.431 2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.218 4.699 -0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.266 3.555 0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.780 3.216 -1.096 1.00 0.00 H new ATOM 232 N ARG A 12 7.310 -1.542 0.184 1.00 0.00 N ATOM 233 CA ARG A 12 7.722 -2.826 0.745 1.00 0.00 C ATOM 234 C ARG A 12 7.646 -2.801 2.269 1.00 0.00 C ATOM 235 O ARG A 12 7.440 -1.706 2.832 1.00 0.00 O ATOM 236 CB ARG A 12 9.145 -3.181 0.297 1.00 0.00 C ATOM 237 CG ARG A 12 9.261 -4.572 -0.309 1.00 0.00 C ATOM 238 CD ARG A 12 10.404 -4.665 -1.314 1.00 0.00 C ATOM 239 NE ARG A 12 10.560 -3.440 -2.097 1.00 0.00 N ATOM 240 CZ ARG A 12 9.652 -2.986 -2.958 1.00 0.00 C ATOM 241 NH1 ARG A 12 8.535 -3.668 -3.179 1.00 0.00 N ATOM 242 NH2 ARG A 12 9.863 -1.850 -3.606 1.00 0.00 N ATOM 243 OXT ARG A 12 7.792 -3.877 2.886 1.00 0.00 O ATOM 0 H ARG A 12 6.379 -1.547 -0.233 1.00 0.00 H new ATOM 0 HA ARG A 12 7.037 -3.589 0.375 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.481 -2.446 -0.434 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.816 -3.109 1.153 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.417 -5.302 0.486 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.324 -4.832 -0.801 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.333 -4.875 -0.785 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.224 -5.503 -1.988 1.00 0.00 H new ATOM 0 HE ARG A 12 11.417 -2.900 -1.976 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.368 -4.546 -2.688 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.844 -3.314 -3.840 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.721 -1.323 -3.445 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.167 -1.502 -4.266 1.00 0.00 H new